6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C13H13FN2 — CID 103996137

IUPAC6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3cc(F)ccc13)CCC2
InChIInChI=1S/C13H13FN2/c1-15-13-9-3-2-4-11(9)16-12-7-8(14)5-6-10(12)13/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeySBBZEIRJMOMCKX-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.90
Rot. Bonds1

About 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 103996137) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID103996137
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3cc(F)ccc13)CCC2
InChIInChI=1S/C13H13FN2/c1-15-13-9-3-2-4-11(9)16-12-7-8(14)5-6-10(12)13/h5-7H,2-4H2,1H3,(H,15,16)
InChIKeySBBZEIRJMOMCKX-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 103996137) is 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3cc(F)ccc13)CCC2.
What is the InChIKey of 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is SBBZEIRJMOMCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-13-9-3-2-4-11(9)16-12-7-8(14)5-6-10(12)13/h5-7H,2-4H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 216.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 103996137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).